4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

C25H34N4O — CID 144713167

IUPAC4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC1CCC(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H34N4O/c1-17-7-9-18(10-8-17)19-11-13-21(14-12-19)29-24(26)23-22(15-16-27-25(23)30)28-20-5-3-2-4-6-20/h11-18,20H,2-10H2,1H3,(H2,26,29)(H2,27,28,30)
InChIKeyHBSXUANXQRMLSU-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.45
Rot. Bonds5

About 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 144713167) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID144713167
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC1CCC(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H34N4O/c1-17-7-9-18(10-8-17)19-11-13-21(14-12-19)29-24(26)23-22(15-16-27-25(23)30)28-20-5-3-2-4-6-20/h11-18,20H,2-10H2,1H3,(H2,26,29)(H2,27,28,30)
InChIKeyHBSXUANXQRMLSU-UHFFFAOYSA-N
XLogP5.45
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyclohexyl-phenylamino)-3-hydroxy-N-isopropyl-isothiazole-4-carboxamidine
CID 44445415
N'-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]-4-[[(1S,2S)-2-cyanocyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 136950928
4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137152937
N'-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137156300
1-acetyl-N'-[4-(3,4-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161575
1-acetyl-N'-[4-(2,5-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161577
1-acetyl-N'-[4-(4-fluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161590
1-acetyl-4-(methylamino)-N'-[4-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161607
1-acetyl-4-(cyclopropylmethylamino)-N'-[4-(4-fluorophenyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161657
(E)-3-[[4-(azetidin-1-yl)cyclohexyl]amino]-2-[N'-[4-(1,1-difluoro-1-phosphanylpropan-2-yl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176664
(E)-3-(cyclohexylamino)-2-[N'-[4-(2,2,2-trifluoroethyl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176685
(E)-3-(cyclohexylamino)-2-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176703

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 144713167) is 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is CC1CCC(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)CC1.
What is the InChIKey of 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is HBSXUANXQRMLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-17-7-9-18(10-8-17)19-11-13-21(14-12-19)29-24(26)23-22(15-16-27-25(23)30)28-20-5-3-2-4-6-20/h11-18,20H,2-10H2,1H3,(H2,26,29)(H2,27,28,30).
What are the key properties of 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 406.57 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-[4-(4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 144713167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).